Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.44 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5789490 | 0.96 | HTT (0.48) | HTTGAAHDAC4CA12CA1 | |
| SCHEMBL5791759 | 0.96 | CHRM2 (0.48) | HTTGAAHDAC4CA12CA1 | |
| SCHEMBL5792727 | 0.91 | HTT (0.52) | HTTGAAHDAC4CA12CA1 | |
| SCHEMBL5789726 | 0.91 | HTT (0.52) | HTTGAAHDAC4CA12CA1 | |
| SCHEMBL5789654 | 0.91 | CA1 (0.44) | HTTGAACA1CA2SMN1; SMN2 | |
| SCHEMBL5790438 | 0.89 | GAA (0.52) | HTTGAAHDAC4CA12CA1 | |
| SCHEMBL5790266 | 0.89 | HDAC4 (0.51) | HTTGAAHDAC4CA12CA1 | |
| SCHEMBL5791769 | 0.89 | MEN1 (0.50) | HTTGAAHDAC4CA12CA1 | |
| SCHEMBL5789791 | 0.89 | HTT (0.55) | HTTGAAHDAC4CA12CA1 | |
| SCHEMBL5806977 | 0.89 | GAA (0.49) | HTTGAAHDAC4CA12CA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006016237-A2 | HETEROCYCLIC DERIVATIVES AS ANTI-INFLAMMATORY AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-02-16 | — | — | WO | claimed |
| WO-2006016237-A2 | HETEROCYCLIC DERIVATIVES AS ANTI-INFLAMMATORY AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-02-16 | — | — | WO | disclosed |